SCHEMBL18756303

SCHEMBL18756303

N[C@@H](CCO)CN1C(=O)c2ccccc2C1=O

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.51
ALDH1A1 P00352 5/20 0.49
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
MAPK1 P28482 1/20 0.43
ELANE P08246 1/20 0.43
KMT2A Q03164 2/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.41
CASP3 P42574 1/20 0.41
GLS O94925 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5398170 0.86 ALDH1A1 (0.51) LTA4HALDH1A1CA12CA9MAPK1
SCHEMBL5398137 0.86 ALDH1A1 (0.51) LTA4HALDH1A1CA12CA9MAPK1
SCHEMBL8127458 0.85 ALDH1A1 (0.50) ALDH1A1CA12CA9ELANEKMT2A
SCHEMBL14909397 0.84 LTA4H (0.49) LTA4HALDH1A1CA12CA9MAPK1
SCHEMBL14909398 0.84 LTA4H (0.49) LTA4HALDH1A1CA12CA9MAPK1
Hydrochloric Acid SCHEMBL5966923 0.83 LTA4H (0.48) LTA4HALDH1A1CA12CA9MAPK1
SCHEMBL4712246 0.81 MAPK1 (0.55) ALDH1A1CA12CA9MAPK1KMT2A
SCHEMBL14910316 0.80 KMT2A (0.49) LTA4HALDH1A1CA12CA9MAPK1
SCHEMBL3384205 0.80 KMT2A (0.49) LTA4HALDH1A1CA12CA9MAPK1
SCHEMBL19737275 0.80 CASP3 (0.55) LTA4HALDH1A1CA9MAPK1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10696707-B2 Polyene macrolide derivative SHIONOGI & CO., LTD. (JP) 2020-06-30 US disclosed
US-20190135847-A1 POLYENE MACROLIDE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2019-05-09 US disclosed
US-10246478-B2 Polyene macrolide derivative SHIONOGI & CO., LTD. (JP) 2019-04-02 US disclosed
US-20170190729-A1 POLYENE MACROLIDE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2017-07-06 US disclosed
US-20170190729-A1 POLYENE MACROLIDE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2017-07-06 US disclosed
EP-3156410-A1 POLYENE MACROLIDE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2017-04-19 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170190729-A1 POLYENE MACROLIDE DERIVATIVE ERG28, RPL23, RPL10 LTA4H 419/4885ALDH1A1 4446/4885CA12 3264/4885
US-10246478-B2 Polyene macrolide derivative ERG28, RPL23, RPL10 LTA4H 419/4885ALDH1A1 4446/4885CA12 3264/4885
US-20190135847-A1 POLYENE MACROLIDE DERIVATIVE ERG28, RPL23, RPL10 LTA4H 419/4885ALDH1A1 4446/4885CA12 3264/4885
US-10696707-B2 Polyene macrolide derivative ERG28, RPL23, RPL10 LTA4H 419/4885ALDH1A1 4446/4885CA12 3264/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.